(3R,4S)-3-ethylthian-4-ol

C7H14OS — CID 13081675

IUPAC(3R,4S)-3-ethylthian-4-ol
SMILESCC[C@H]1CSCC[C@@H]1O
InChIInChI=1S/C7H14OS/c1-2-6-5-9-4-3-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyUVINTRKEOLRROH-BQBZGAKWSA-N
MW146.25 g/mol
LogP1.51
Rot. Bonds1

About (3R,4S)-3-ethylthian-4-ol

(3R,4S)-3-ethylthian-4-ol (PubChem CID 13081675) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (3R,4S)-3-ethylthian-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-ethylthian-4-ol
PubChem CID13081675
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(3R,4S)-3-ethylthian-4-ol
SMILESCC[C@H]1CSCC[C@@H]1O
InChIInChI=1S/C7H14OS/c1-2-6-5-9-4-3-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyUVINTRKEOLRROH-BQBZGAKWSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethylthian-4-ol?
The IUPAC name of (3R,4S)-3-ethylthian-4-ol (CID 13081675) is (3R,4S)-3-ethylthian-4-ol.
What is the SMILES notation for (3R,4S)-3-ethylthian-4-ol?
The canonical SMILES for (3R,4S)-3-ethylthian-4-ol is CC[C@H]1CSCC[C@@H]1O.
What is the InChIKey of (3R,4S)-3-ethylthian-4-ol?
The InChIKey is UVINTRKEOLRROH-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-6-5-9-4-3-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3R,4S)-3-ethylthian-4-ol?
(3R,4S)-3-ethylthian-4-ol has a molecular weight of 146.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethylthian-4-ol is sourced from PubChem (CID 13081675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).